SCHEMBL6507704

SCHEMBL6507704

COC(=O)c1cccc(C(=O)Nc2cc(C(N)=O)c(NC(N)=O)s2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 5/20 0.49
IKBKB O14920 6/20 0.48
JAK2 O60674 2/20 0.48
JAK3 P52333 1/20 0.48
IL2 P60568 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
LMNA P02545 2/20 0.46
EIF2AK2 P19525 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6511724 0.89 MAPT (0.51) CHEK1IKBKBJAK2JAK3KMT2A
SCHEMBL6514964 0.87 CHEK1 (0.57) CHEK1IKBKBKMT2AMEN1TDP1
SCHEMBL6512362 0.84 IKBKB (0.57) IKBKBJAK2JAK3KMT2AMEN1
SCHEMBL6506340 0.83 FLT3 (0.51) IKBKBJAK2JAK3KMT2AMEN1
SCHEMBL6530168 0.82 IKBKB (0.62) CHEK1IKBKBJAK2JAK3KMT2A
SCHEMBL6510003 0.81 P2RX1 (0.52) IKBKBJAK2JAK3KMT2AMEN1
SCHEMBL6509621 0.81 SMN1; SMN2 (0.65) CHEK1IKBKBKMT2AMEN1ALDH1A1
SCHEMBL6510633 0.80 MEN1 (0.48) CHEK1IKBKBJAK2JAK3KMT2A
SCHEMBL6507728 0.78 IKBKB (0.50) IKBKBJAK2JAK3KMT2AMEN1
SCHEMBL6509110 0.77 IKBKB (0.63) CHEK1IKBKBJAK2JAK3KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005105777-A1 SUBSTITUTED THIOPHENE AMIDE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA & UPJOHN COMPANY LLC (US) 2005-11-10 WO disclosed